{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.2934362 2.840867 1.110891 ] [ 0.7634727 2.370483 2.358735 ] [ 2.954483 0.5132865 0.5514058 ] [ 1.977096 2.170821 0.0967804 ] [ 2.774594 2.595093 2.624283 ] [ 2.05175 1.547661 1.964386 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.934362e-11 2.840867e-10 1.110891e-10 ] [ 7.634727e-11 2.370483e-10 2.358735e-10 ] [ 2.954483e-10 5.132865e-11 5.514058e-11 ] [ 1.977096e-10 2.170821e-10 9.67804e-12 ] [ 2.774594e-10 2.595093e-10 2.624283e-10 ] [ 2.05175e-10 1.547661e-10 1.964386e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -37.9606785 35.6993089 -89.3231549 ] [ -13.6552849 -7.8306144 102.0958451 ] [ 9.2336165 -13.5472782 -5.8153775 ] [ -3.4128724 10.2274632 -18.9932075 ] [ 53.4733421 68.7295479 46.9390623 ] [ -7.6781228 -93.2784274 -34.9031675 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.081971160240521e-08 5.719659809829736e-08 -1.43111470476877e-07 ] [ -2.187817821714326e-08 -1.254602731817982e-08 1.635755761000382e-07 ] [ 1.479388448173312e-08 -2.170513240751351e-08 -9.317261871626352e-09 ] [ -5.468024369053586e-09 1.638620242913236e-08 -3.043047301050322e-08 ] [ 8.56737385486604e-08 1.101168748035337e-07 7.520466821933467e-08 ] [ -1.230170884179143e-08 -1.494485156052701e-07 -5.592103896036639e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 50.726808 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.127330582541041e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2578349 3.409517 0.5956277 ] [ 0.6500478 2.7191187 2.7833568 ] [ 3.5234199 0.6973948 0.1032331 ] [ 1.3005675 1.4680567 -0.1711052 ] [ 2.9389078 2.8012319 3.3448708 ] [ 2.144054 0.9428926 2.050498 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.578349e-11 3.409517e-10 5.956277e-11 ] [ 6.500478e-11 2.7191187e-10 2.7833568e-10 ] [ 3.5234199e-10 6.973948000000001e-11 1.032331e-11 ] [ 1.3005675e-10 1.4680567e-10 -1.711052e-11 ] [ 2.9389078e-10 2.8012319e-10 3.3448708e-10 ] [ 2.144054e-10 9.428926e-11 2.050498e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.6e-06 -7e-07 1.89e-05 ] [ -4.03e-05 1.86e-05 1.08e-05 ] [ -4.36e-05 3.29e-05 5.33e-05 ] [ 5.44e-05 -3.39e-05 -5e-07 ] [ 5.63e-05 1.09e-05 -6.6e-06 ] [ -2.02e-05 -2.78e-05 -7.58e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.057436569728e-14 -1.12152363456e-15 3.028113813312e-14 ] [ -6.456771781824e-14 2.980048514688e-14 1.730350750464e-14 ] [ -6.985490066688e-14 5.271161082432e-14 8.539601388864e-14 ] [ 8.715840817152e-14 -5.431378744512e-14 -8.010883104e-16 ] [ 9.020254375104e-14 1.746372516672e-14 -1.057436569728e-14 ] [ -3.236396774016e-14 -4.454051005824e-14 -1.2144498785664e-13 ] ] } "relaxed-potential-energy" { "source-value" -17.019658 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.726849814161169e-18 } }